N-cyclopropyl-3-methyl-4-oxidanylidene-2-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-quinazoline-7-carboxamide

Systemtic Name: N-cyclopropyl-3-methyl-4-oxidanylidene-2-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-quinazoline-7-carboxamide Openeye Name: N-cyclopropyl-3-methyl-4-oxo-2-thioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-quinazoline-7-carboxamide CAS Name: N-cyclopropyl-3-methyl-4-oxo-2-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-quinazoline-7-carboxamide IUPAC Name: N-cyclopropyl-3-methyl-4-oxo-2-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-quinazoline-7-carboxamide Traditional Name: N-cyclopropyl-4-keto-3-methyl-2-thioxo-N-[4-(trifluoromethyl)benzyl]-1H-quinazoline-7-carboxamide Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC3=CC=C(C=C3)C(F)(F)F)C4CC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC3=CC=C(C=C3)C(F)(F)F)C4CC4)NC1=S

InChI

InChI=1S/C21H18F3N3O2S/c1-26-19(29)16-9-4-13(10-17(16)25-20(26)30)18(28)27(15-7-8-15)11-12-2-5-14(6-3-12)21(22,23)24/h2-6,9-10,15H,7-8,11H2,1H3,(H,25,30)